SCHEMBL9768252

SCHEMBL9768252

CC(C)CNCC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
DBH P09172 1/20 0.50
RECQL P46063 1/20 0.50
ALPG P10696 7/20 0.49
ALPL P05186 7/20 0.49
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
XDH P47989 1/20 0.46
HDAC6 Q9UBN7 1/20 0.43
PLAA Q9Y263 4/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
PTGS2 P35354 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6046293 0.81 ALPG (0.52) KDM4EGAADBHRECQLALPG
SCHEMBL9768178 0.80 KDM4E (0.53) KDM4EGAADBHRECQLALPG
SCHEMBL29391092 0.80 KDM4E (0.53) KDM4EGAADBHRECQLALPG
Hydrochloric Acid SCHEMBL11290306 0.79 KDM4E (0.51) KDM4EGAADBHRECQLALPG
SCHEMBL9768162 0.79 ALPG (0.50) KDM4EGAADBHRECQLALPG
SCHEMBL16808918 0.78 KDM4E (0.58) KDM4EGAADBHRECQLALPG
Adrenalone SCHEMBL123124 0.78 ALPG (0.55) KDM4EGAADBHRECQLALPG
Adrenalone SCHEMBL29550997 0.78 ALPG (0.55) KDM4EGAADBHRECQLALPG
SCHEMBL25640423 0.77 ERCC1 (0.58) KDM4EGAADBHRECQLALPG
SCHEMBL10370630 0.77 ALDH1A1 (0.51) MAPTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed